LaBi6Pb5
Alexandria ALEXAlex-ID: agm006116689 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_50_spg71
LaBi2 Pb Bi
2023-08-30 05:58:06.849805
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116689).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006116689
data_agm006116689
_cell_length_a 4.71400
_cell_length_b 9.75178
_cell_length_c 9.75163
_cell_angle_alpha 109.59913
_cell_angle_beta 103.76015
_cell_angle_gamma 103.76392
_cell_volume 384.66969
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1 Pb 0.50000 0.16705 0.83295 1.00000
Pb2 Pb 0.00000 0.32523 0.67477 1.00000
Pb3 Pb 0.50000 0.50000 0.50000 1.00000
Pb4 Pb 1.00000 0.67477 0.32523 1.00000
Pb5 Pb 0.50000 0.83295 0.16705 1.00000
Bi1 Bi 0.24551 0.08731 0.40950 1.00000
Bi2 Bi 0.75449 0.59050 0.91269 1.00000
Bi3 Bi 0.75005 0.25089 0.25089 1.00000
Bi4 Bi 0.24995 0.74911 0.74911 1.00000
Bi5 Bi 0.24551 0.40950 0.08731 1.00000
Bi6 Bi 0.75449 0.91269 0.59050 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
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